Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 12/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11879430 | 0.86 | VCAM1 (0.48) | VCAM1THRBENPP2MAPTKMT2A | |
| SCHEMBL9346068 | 0.85 | KMT2A (0.55) | VCAM1POLBHTTKMT2ACA12 | |
| SCHEMBL3182608 | 0.84 | ALDH1A1 (0.45) | VCAM1POLBKMT2ACA12CA1 | |
| SCHEMBL10783796 | 0.83 | ALDH1A1 (0.46) | VCAM1THRBKMT2ACA12CA1 | |
| SCHEMBL4067424 | 0.80 | TSHR (0.60) | VCAM1THRBNPC1THRAPOLB | |
| SCHEMBL12377069 | 0.80 | ALDH1A1 (0.56) | VCAM1THRBNPC1MAPTHTT | |
| SCHEMBL2646713 | 0.79 | VCAM1 (0.55) | VCAM1THRBNPC1THRAPOLB | |
| SCHEMBL3872754 | 0.79 | VCAM1 (0.55) | VCAM1THRBNPC1THRAPOLB | |
| SCHEMBL9012097 | 0.79 | KIF18A (0.62) | VCAM1THRBPOLBMAPTPKM | |
| SCHEMBL11488809 | 0.79 | ALDH1A1 (0.58) | VCAM1THRBNPC1THRAPOLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009115393-A1 | PROCESS FOR THE PREPARATION OF N-(1-PHENYLETHYL)ANILINES, SALTS, AND SOLVATES THEREOF USEFUL AS SEROTONIN 5-HT6 ANTAGONISTS | LABORATORIOS DEL DR. ESTEVE, S. A. (ES) | 2009-09-24 | — | — | WO | disclosed |
| EP-2103596-A1 | Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-09-23 | — | — | EP | disclosed |